(4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol

C13H26N2O2 — CID 155982556

IUPAC(4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)14-5-3-12(13(16)4-6-14)15-7-9-17-10-8-15/h11-13,16H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyAWDNZGZVNWSMBX-STQMWFEESA-N
MW242.36 g/mol
LogP0.55
Rot. Bonds2

About (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol

(4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol (PubChem CID 155982556) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol
PubChem CID155982556
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol
SMILESCC(C)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)14-5-3-12(13(16)4-6-14)15-7-9-17-10-8-15/h11-13,16H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyAWDNZGZVNWSMBX-STQMWFEESA-N
XLogP0.55
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol?
The IUPAC name of (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol (CID 155982556) is (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol?
The canonical SMILES for (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol is CC(C)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1.
What is the InChIKey of (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol?
The InChIKey is AWDNZGZVNWSMBX-STQMWFEESA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)14-5-3-12(13(16)4-6-14)15-7-9-17-10-8-15/h11-13,16H,3-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol?
(4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol has a molecular weight of 242.36 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-morpholin-4-yl-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 155982556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).